(5S)-1-(Chloroacetyl)-4,5-dihydro-1H-pyrazole-5-carbonitrile
[CAS# 761414-86-2]

Identification

• Name: (5S)-1-(Chloroacetyl)-4,5-dihydro-1H-pyrazole-5-carbonitrile
• Synonyms: (S)-1-(2-chloroacetyl)-4,5-dihydro-1H-pyrazole-5-carbonitrile
• Molecular Formula: C₆H₆ClN₃O
• Molecular Weight: 171.58
• CAS Registry Number: 761414-86-2
• SMILES: C1C=NN([C@@H]1C#N)C(=O)CCl
• InChI: 1S/C6H6ClN3O/c7-3-6(11)10-5(4-8)1-2-9-10/h2,5H,1,3H2/t5-/m0/s1
• InChIKey: IGTKAWAIMCXOIH-YFKPBYRVSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 334.085°C at 760 mmHg (Cal.)
• Flash point: 155.849°C (Cal.)
• Refractive index: 1.621 (Cal.)